SCHEMBL4556152

SCHEMBL4556152

C[As](Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)Cc1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.57
MTOR P42345 9/20 0.57
PIK3CD O00329 13/20 0.56
PIK3CB P42338 13/20 0.56
PIK3CG P48736 13/20 0.56
SYK P43405 1/20 0.56
MAP3K9 P80192 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4554196 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27953612 0.78 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4438673 0.78 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5110188 0.76 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4436825 0.76 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13557953 0.76 PIK3CD (0.77) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4435248 0.76 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181612 0.75 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181042 0.74 PIK3CD (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1180177 0.74 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed